Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites: An atomistic simulation study

Jacob Schichtel, Bonsung Koo, Aditi Chattopadhyay

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A preliminary analysis of the temperature-dependent elastic and plastic response of carbon nanotube (CNT) reinforced nanocomposites using an atomistically informed approach is presented. By utilizing molecular dynamics (MD) simulations, the effects of temperature on mechanical properties have been investigated for epoxy-based polymer composites reinforced by randomly dispersed CNTs. A molecular model has been developed for the bulk matrix of the randomly dispersed CNT architecture, and virtual deformation tests have been performed to estimate mechanical properties under a wide range of temperatures. The results indicate that the strength and stiffness of these nanocomposites degrade as the temperature increases and the increase in temperature is linked to an increase in the Poisson’s ratio. This physics-based understanding of the effects of temperature and nanoconfiguration on critical mechanical properties will be valuable for the design optimization of nanocomposites.

Original languageEnglish (US)
Title of host publicationSAMPE Conference and Exhibition
EditorsKevin Ahlstrom, Paul Joseph Biermann, Michael J. Knight, Andrew Craig Becnel, Jim Harris, Stephen E. Scarborough, Phil Sears, Brian Gardner, Erik T. Thostenson, Matt Buchholz, German Reyes-Villanueva, Jacob Preston Anderson, Scott Beckwith, Elizabeth Cates, James Thomas
PublisherSoc. for the Advancement of Material and Process Engineering
ISBN (Electronic)9781934551301
StatePublished - Jan 1 2019
EventSAMPE 2019 Conference and Exhibition - Charlotte, United States
Duration: May 20 2019May 23 2019

Publication series

NameInternational SAMPE Technical Conference
Volume2019-May

Conference

ConferenceSAMPE 2019 Conference and Exhibition
CountryUnited States
CityCharlotte
Period5/20/195/23/19

Fingerprint

Carbon Nanotubes
Carbon nanotubes
Nanocomposites
Mechanical properties
Temperature
Poisson ratio
Molecular dynamics
Polymers
Physics
Stiffness
Plastics
Computer simulation
Composite materials

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Schichtel, J., Koo, B., & Chattopadhyay, A. (2019). Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites: An atomistic simulation study. In K. Ahlstrom, P. J. Biermann, M. J. Knight, A. C. Becnel, J. Harris, S. E. Scarborough, P. Sears, B. Gardner, E. T. Thostenson, M. Buchholz, G. Reyes-Villanueva, J. P. Anderson, S. Beckwith, E. Cates, ... J. Thomas (Eds.), SAMPE Conference and Exhibition (International SAMPE Technical Conference; Vol. 2019-May). Soc. for the Advancement of Material and Process Engineering.

Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites : An atomistic simulation study. / Schichtel, Jacob; Koo, Bonsung; Chattopadhyay, Aditi.

SAMPE Conference and Exhibition. ed. / Kevin Ahlstrom; Paul Joseph Biermann; Michael J. Knight; Andrew Craig Becnel; Jim Harris; Stephen E. Scarborough; Phil Sears; Brian Gardner; Erik T. Thostenson; Matt Buchholz; German Reyes-Villanueva; Jacob Preston Anderson; Scott Beckwith; Elizabeth Cates; James Thomas. Soc. for the Advancement of Material and Process Engineering, 2019. (International SAMPE Technical Conference; Vol. 2019-May).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Schichtel, J, Koo, B & Chattopadhyay, A 2019, Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites: An atomistic simulation study. in K Ahlstrom, PJ Biermann, MJ Knight, AC Becnel, J Harris, SE Scarborough, P Sears, B Gardner, ET Thostenson, M Buchholz, G Reyes-Villanueva, JP Anderson, S Beckwith, E Cates & J Thomas (eds), SAMPE Conference and Exhibition. International SAMPE Technical Conference, vol. 2019-May, Soc. for the Advancement of Material and Process Engineering, SAMPE 2019 Conference and Exhibition, Charlotte, United States, 5/20/19.
Schichtel J, Koo B, Chattopadhyay A. Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites: An atomistic simulation study. In Ahlstrom K, Biermann PJ, Knight MJ, Becnel AC, Harris J, Scarborough SE, Sears P, Gardner B, Thostenson ET, Buchholz M, Reyes-Villanueva G, Anderson JP, Beckwith S, Cates E, Thomas J, editors, SAMPE Conference and Exhibition. Soc. for the Advancement of Material and Process Engineering. 2019. (International SAMPE Technical Conference).
Schichtel, Jacob ; Koo, Bonsung ; Chattopadhyay, Aditi. / Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites : An atomistic simulation study. SAMPE Conference and Exhibition. editor / Kevin Ahlstrom ; Paul Joseph Biermann ; Michael J. Knight ; Andrew Craig Becnel ; Jim Harris ; Stephen E. Scarborough ; Phil Sears ; Brian Gardner ; Erik T. Thostenson ; Matt Buchholz ; German Reyes-Villanueva ; Jacob Preston Anderson ; Scott Beckwith ; Elizabeth Cates ; James Thomas. Soc. for the Advancement of Material and Process Engineering, 2019. (International SAMPE Technical Conference).
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